N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide

C13H13FN2O4S — CID 77094070

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O4S/c1-9-12(16-8-20-9)13(17)15-6-7-21(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyFLPXPCJADKMQKW-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 77094070) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID77094070
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O4S/c1-9-12(16-8-20-9)13(17)15-6-7-21(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyFLPXPCJADKMQKW-UHFFFAOYSA-N
XLogP1.33
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 77094070) is N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FLPXPCJADKMQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-9-12(16-8-20-9)13(17)15-6-7-21(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 77094070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).